SCHEMBL8070229

SCHEMBL8070229

C=CC(=O)C(=O)OCCS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.31
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27401505 0.80 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL16327 0.79 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL1254117 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1302280 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8861475 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8861451 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5053935 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL165903 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylamide SCHEMBL28525045 0.75 THRB (0.42) TSHRALDH1A1
Vinylsulfonic Acid SCHEMBL9776595 0.74 THRB (0.44) TSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710738-B1 FIBER PRODUCT PROCESSING METHOD DAIKIN IND LTD (JP) 2000-09-27 EP disclosed
EP-0710738-A1 FIBER PRODUCT PROCESSING METHOD DAIKIN INDUSTRIES, LIMITED (JP) 1996-05-08 EP disclosed